Articles:
1,2-dithiolane-4-carboxylic acid
Notes:
Isol. from asparagus (Asparagus officinalis) [DFC]
Asparagusic acid is an organosulfur carboxylic acid present in the vegetable asparagus and may be the metabolic precursor to other odorous thiol compounds. Biosynthetic studies revealed that asparagusic acid is derived from isobutyric acid. [Wikipedia]
| CAS Number: | 2224-02-4 |  3D/inchi
|
| FDA UNII: | VAD3XV509R | |
| Nikkaji Web: | J13.270E | |
| Beilstein Number: | 0112178 | |
| MDL: | MFCD01729684 | |
| XlogP3-AA: | 0.20 (est) | |
| Molecular Weight: | 150.22022000 | |
| Formula: | C4 H6 O2 S2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 232.00 to 234.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.000051 mmHg @ 25.00 °C. (est) |
| Flash Point: | 301.00 °F. TCC ( 149.70 °C. ) (est) |
| logP (o/w): | 1.480 (est) |
| Soluble in: | |
| water, 1.123e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
intraperitoneal-mouse LD50 27 mg/kg Biochemical Pharmacology. Vol. 11, Pg. 453, 1962. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for asparagusic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for asparagusic acid flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 16682 |
| National Institute of Allergy and Infectious Diseases: | Data |
| dithiolane-4-carboxylic acid | |
| Chemidplus: | 0002224024 |
References:
| dithiolane-4-carboxylic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 16682 |
| Pubchem (sid): | 134983185 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEBI: | View |
| KEGG (GenomeNet): | C01892 |
| HMDB (The Human Metabolome Database): | HMDB29611 |
| FooDB: | FDB000778 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| asparagus cooked asparagus Search Trop Picture | |
| asparagus shoot Search Trop Picture |
Synonyms:
| dithiolane-4-carboxylic acid | |
| 1,2- | dithiolane-4-carboxylic acid |